General Information of the Compound
| Compound ID |
CP0110281
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Biphenyl-4-carboxylic acid {4-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-butyl}-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29Cl2N3O
|
||||||||||||||||||
| Molecular Weight |
482.455
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccc3)CC2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29Cl2N3O/c28-24-9-6-10-25(26(24)29)32-19-17-31(18-20-32)16-5-4-15-30-27(33)23-13-11-22(12-14-23)21-7-2-1-3-8-21/h1-3,6-14H,4-5,15-20H2,(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JNGNQZWCWJWYDP-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound